3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one

C19H14N2O2 — CID 11847316

IUPAC3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one
SMILESO=c1c(Cn2ccnc2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C19H14N2O2/c22-18-15-8-4-5-9-17(15)23-19(14-6-2-1-3-7-14)16(18)12-21-11-10-20-13-21/h1-11,13H,12H2
InChIKeyCAKKGEJFZFTSEV-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.70
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one

3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one (PubChem CID 11847316) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one
PubChem CID11847316
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one
SMILESO=c1c(Cn2ccnc2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C19H14N2O2/c22-18-15-8-4-5-9-17(15)23-19(14-6-2-1-3-7-14)16(18)12-21-11-10-20-13-21/h1-11,13H,12H2
InChIKeyCAKKGEJFZFTSEV-UHFFFAOYSA-N
XLogP3.70
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one (CID 11847316) is 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one is O=c1c(Cn2ccnc2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one?
The InChIKey is CAKKGEJFZFTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-18-15-8-4-5-9-17(15)23-19(14-6-2-1-3-7-14)16(18)12-21-11-10-20-13-21/h1-11,13H,12H2.
What are the key properties of 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one?
3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-2-phenylchromen-4-one is sourced from PubChem (CID 11847316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).